General Information of the Compound
Compound ID
CP0014179
Compound Name
2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-6H-1,6-naphthyridin-5-one
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Structure
Formula
C19H16FN3O3
Molecular Weight
353.353
Canonical SMILES
Cc1onc(c1COc1ccc2C(=O)NCCc2n1)-c1ccc(F)cc1
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InChI
InChI=1S/C19H16FN3O3/c1-11-15(18(23-26-11)12-2-4-13(20)5-3-12)10-25-17-7-6-14-16(22-17)8-9-21-19(14)24/h2-7H,8-10H2,1H3,(H,21,24)
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InChIKey
VWWRBLRICBRUKO-UHFFFAOYSA-N
Physicochemical Property
logP
3.04902
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
77.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
26

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 168283825
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 10000 nM
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